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Name |
1,3-Difluoro-2-methyl-4-nitrobenzene |
EINECS | N/A |
CAS No. | 79562-49-5 | Density | 1.374 g/cm3 |
PSA | 45.82000 | LogP | 2.70460 |
Solubility | Slightly soluble in water. | Melting Point |
N/A |
Formula | C7H5F2NO2 | Boiling Point | 237.2 °C at 760 mmHg |
Molecular Weight | 173.119 | Flash Point | 108.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-difluoro-2-methyl-4-nitro-benzene |
Article Data | 7 |
The 1,3-Difluoro-2-methyl-4-nitrobenzene is an organic compound with the formula C7H5F2NO2. The systematic name of this chemical is 1,3-difluoro-2-methyl-4-nitro-benzene. With the CAS registry number 79562-49-5, it is also named as benzene, 1,3-difluoro-2-methyl-4-nitro-.
Physical properties about 1,3-Difluoro-2-methyl-4-nitrobenzene are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.89; (5)ACD/BCF (pH 7.4): 20.89; (6)ACD/KOC (pH 5.5): 306.47; (7)ACD/KOC (pH 7.4): 306.47; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 37.61 cm3; (13)Molar Volume: 125.9 cm3; (14)Polarizability: 14.91×10-24cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 1.374 g/cm3; (17)Flash Point: 108.8 °C; (18)Enthalpy of Vaporization: 45.48 kJ/mol; (19)Boiling Point: 237.2 °C at 760 mmHg; (20)Vapour Pressure: 0.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(c1F)N(=O)=O)F
(2)InChI: InChI=1/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
(3)InChIKey: AVWNNVJXXMKAPB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
(5)Std. InChIKey: AVWNNVJXXMKAPB-UHFFFAOYSA-N